methyl 4-{2-[4-(cyanomethyl)piperazin-1-yl]acetamido}benzoate--oxalic acid (1/1)
Chemical Structure Depiction of
methyl 4-{2-[4-(cyanomethyl)piperazin-1-yl]acetamido}benzoate--oxalic acid (1/1)
methyl 4-{2-[4-(cyanomethyl)piperazin-1-yl]acetamido}benzoate--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 8009-1947 |
| Compound Name: | methyl 4-{2-[4-(cyanomethyl)piperazin-1-yl]acetamido}benzoate--oxalic acid (1/1) |
| Molecular Weight: | 406.39 |
| Molecular Formula: | C16 H20 N4 O3 |
| Salt: | HOOCCOOH |
| Smiles: | COC(c1ccc(cc1)NC(CN1CCN(CC1)CC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1415 |
| logD: | 1.1412 |
| logSw: | -2.122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.576 |
| InChI Key: | IQQSOIZOFKFHSH-UHFFFAOYSA-N |